SCHEMBL28826937

SCHEMBL28826937

Nc1cc(C(Cl)(Cl)Cl)ccc1S.Oc1cc(C(Cl)(Cl)Cl)ccc1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.35
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 3/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LIG1 P18858 1/20 0.30
CHEK1 O14757 1/20 0.30
FYN P06241 1/20 0.30
PDGFRB P09619 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6520293 0.89 TSHR (0.43) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL6519018 0.89 TSHR (0.43) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL6516444 0.87 TSHR (0.41) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL6521978 0.87 TSHR (0.41) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL6520615 0.87 TSHR (0.41) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL6512927 0.87 TSHR (0.41) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL6512922 0.87 TSHR (0.41) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL6520621 0.87 TSHR (0.41) ALDH1A1TSHRHPGDHSD17B10ALOX15
SCHEMBL9305500 0.77 ALOX15 (0.50) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL9308489 0.77 ALDH1A1 (0.63) ALDH1A1MEN1GAAMAPTPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103418116-B Golf DUNLOP SPORTS CO., LTD. (JP) 2016-05-04 CN disclosed